ethyl 1-[3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanoyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propanoyl]nipecotic acid ethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H27N3O5/c1-2-30-22(29)17-7-5-12-24(14-17)20(27)9-11-23-19(26)15-25-13-10-16-6-3-4-8-18(16)21(25)28/h3-4,6,8,10,13,17H,2,5,7,9,11-12,14-15H2,1H3,(H,23,26)